N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine

C14H23NOS — CID 114241957

IUPACN-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)C1CCOCC1C
InChIInChI=1S/C14H23NOS/c1-4-15-14(12-7-11(3)17-9-12)13-5-6-16-8-10(13)2/h7,9-10,13-15H,4-6,8H2,1-3H3
InChIKeyAOJVZSWAXXPIMU-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.38
Rot. Bonds4

About N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine

N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 114241957) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
PubChem CID114241957
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)C1CCOCC1C
InChIInChI=1S/C14H23NOS/c1-4-15-14(12-7-11(3)17-9-12)13-5-6-16-8-10(13)2/h7,9-10,13-15H,4-6,8H2,1-3H3
InChIKeyAOJVZSWAXXPIMU-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine
CID 65330421
N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107189268
N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097372
N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-3-yl)methanamine
CID 107189272
N-[(5-bromothiophen-3-yl)-(oxan-4-yl)methyl]ethanamine
CID 105147150
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 79974081
N-methyl-1-(3-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991316
N-ethyl-1-(3-methyloxan-4-yl)prop-2-yn-1-amine
CID 130492029
N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105155633
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
N-[(3,4-dimethylcyclohexyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 104989415

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine (CID 114241957) is N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1csc(C)c1)C1CCOCC1C.
What is the InChIKey of N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is AOJVZSWAXXPIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-15-14(12-7-11(3)17-9-12)13-5-6-16-8-10(13)2/h7,9-10,13-15H,4-6,8H2,1-3H3.
What are the key properties of N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine?
N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 114241957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).